N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-ethyl-2-{rel-(1aR,7bR)-1a-[(4-fluorophenoxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}acetamide
Chemical Structure Depiction of
N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-ethyl-2-{rel-(1aR,7bR)-1a-[(4-fluorophenoxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}acetamide
N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-ethyl-2-{rel-(1aR,7bR)-1a-[(4-fluorophenoxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}acetamide
Compound characteristics
| Compound ID: | SC76-0622 |
| Compound Name: | N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-ethyl-2-{rel-(1aR,7bR)-1a-[(4-fluorophenoxy)methyl]-2-oxo-1,1a,2,7b-tetrahydro-3H-cyclopropa[c]quinolin-3-yl}acetamide |
| Molecular Weight: | 476.55 |
| Molecular Formula: | C27 H29 F N4 O3 |
| Smiles: | [H][C@]12C[C@]2(COc2ccc(cc2)F)C(N(CC(N(CC)Cc2cn(C)nc2C)=O)c2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8639 |
| logD: | 2.8639 |
| logSw: | -3.1166 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.662 |
| InChI Key: | YTDLCPIOQLKUSO-YIXXDRMTSA-N |